Name: Name:4-(4H-1,2,4-Triazol-4-yl)benzoic acid
Brand: AABLOCKS
SKU: AA001P3U
Rating: 90 (10 reviews)

Catalog No.: AA001P3U

157069-48-2 | 4-(4H-1,2,4-Triazol-4-yl)benzoic acid

Pack Size： 100mg

Purity： 98%

in stock

$20.00 $14.00

Pack Size： 250mg

Purity： 98%

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$30.00 $21.00

Pack Size： 1g

Purity： 98%

in stock

$75.00 $53.00

Pack Size： 5g

Purity： 98%

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$262.00 $184.00

Pack Size： 10g

Purity： 98%

in stock

$497.00 $348.00

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Technical Information

Catalog Number: AA001P3U

Chemical Name: 4-(4H-1,2,4-Triazol-4-yl)benzoic acid

CAS Number: 157069-48-2

Molecular Formula: C9H7N3O2

Molecular Weight: 189.1708

MDL Number: MFCD06654839

SMILES: OC(=O)c1ccc(cc1)n1cnnc1

Properties

Complexity: 208

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.6

Downstream Synthesis Route

150-13-0

122-51-0

624-84-0

157069-48-2

[1]Zou,Ru-Qiang;Cai,Li-Zhen;Guo,Guo-Cong[JournalofMolecularStructure,2005,vol.737,#2-3,p.125-129]

203521-17-9

157069-48-2

1-(6-chloronaphthalene-2-sulfonyl)-4-4-(1,2,4-triazol-4-yl)benzoylpiperazine

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6359134,2002,B1Locationinpatent:Example51

207798-96-7

157069-48-2

1-(6-bromonaphthalene-2-sulfonyl)-4-4-(1,2,4-triazol-1-yl)benzoylpiperazine

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6359134,2002,B1Locationinpatent:Example66

167626-25-7

157069-48-2

[1]CurrentPatentAssignee:TOHOKUUNIVERSITY-EP2103611,2009,A1Locationinpatent:Page/Pagecolumn83

[2]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-US5656642,1997,A

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6359134,2002,B1Locationinpatent:Referentialexample17

N,N-dimethylformamideazinedihydrochloride

150-13-0

157069-48-2

[1]Naik,AnilD.;Marchand-Brynaert,Jacqueline;Garcia,Yann[Synthesis,2008,#1,p.149-154]

Literature fold

Title: Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-κN]nickel(II) deca-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online20120101

Title: catena-Poly[[diaqua-copper(II)]-μ-hy-drox-ido-κO:O-μ-[4-(4H-1,2,4-triazol-4-yl)benzoato]-κN:N].

Journal: Acta crystallographica. Section E, Structure reports online20110901

Title: Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-κN]manganese(II) deca-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online20110801

Title: Diaqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-κO,O']nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online20110601

Title: Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-κN]copper(II) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online20110601

Title: Two-dimensional networks of lanthanide cubane-shaped dumbbells.

Journal: Inorganic chemistry20091221

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